N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide

C28H28FN7O2 — CID 3180484

IUPACN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C28H28FN7O2/c1-19-10-12-22(13-11-19)36(25(37)18-35-33-27(32-34-35)23-8-4-5-9-24(23)29)26(20-14-16-30-17-15-20)28(38)31-21-6-2-3-7-21/h4-5,8-17,21,26H,2-3,6-7,18H2,1H3,(H,31,38)
InChIKeyHPFRVMSWIBSZJI-UHFFFAOYSA-N
MW513.58 g/mol
LogP4.02
Rot. Bonds8

About N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide (PubChem CID 3180484) has the molecular formula C28H28FN7O2 and a molecular weight of 513.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide
PubChem CID3180484
Molecular FormulaC28H28FN7O2
Molecular Weight513.58 g/mol
Exact Mass513.23
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide
SMILESCc1ccc(N(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C28H28FN7O2/c1-19-10-12-22(13-11-19)36(25(37)18-35-33-27(32-34-35)23-8-4-5-9-24(23)29)26(20-14-16-30-17-15-20)28(38)31-21-6-2-3-7-21/h4-5,8-17,21,26H,2-3,6-7,18H2,1H3,(H,31,38)
InChIKeyHPFRVMSWIBSZJI-UHFFFAOYSA-N
XLogP4.02
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide (CID 3180484) is N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide is Cc1ccc(N(C(=O)Cn2nnc(-c3ccccc3F)n2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide?
The InChIKey is HPFRVMSWIBSZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O2/c1-19-10-12-22(13-11-19)36(25(37)18-35-33-27(32-34-35)23-8-4-5-9-24(23)29)26(20-14-16-30-17-15-20)28(38)31-21-6-2-3-7-21/h4-5,8-17,21,26H,2-3,6-7,18H2,1H3,(H,31,38).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide has a molecular weight of 513.58 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-4-methylanilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3180484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).